3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3-methylbutanamide

C11H24N2O2 — CID 64676838

IUPAC3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3-methylbutanamide
SMILESCCC(CC)(CO)NC(=O)CC(C)(C)N
InChIInChI=1S/C11H24N2O2/c1-5-11(6-2,8-14)13-9(15)7-10(3,4)12/h14H,5-8,12H2,1-4H3,(H,13,15)
InChIKeyVBEWWCKBMHRVKJ-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.78
Rot. Bonds6

About 3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3-methylbutanamide

3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3-methylbutanamide (PubChem CID 64676838) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3-methylbutanamide
PubChem CID64676838
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3-methylbutanamide
SMILESCCC(CC)(CO)NC(=O)CC(C)(C)N
InChIInChI=1S/C11H24N2O2/c1-5-11(6-2,8-14)13-9(15)7-10(3,4)12/h14H,5-8,12H2,1-4H3,(H,13,15)
InChIKeyVBEWWCKBMHRVKJ-UHFFFAOYSA-N
XLogP0.78
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butylsulfanyl-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
CID 62517594
(2R)-2-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3,3-dimethylbutanamide
CID 103929829
2-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylbutanamide
CID 107865579
2-(ethylamino)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
CID 62521058
N-[3-(hydroxymethyl)pentan-3-yl]-2-(propan-2-ylamino)acetamide
CID 62520694
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 104630084
3-amino-3-methyl-N-(2-methylbut-3-yn-2-yl)butanamide
CID 64677680
6-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4,4-dimethylhexanamide
CID 107865762
6-[3-(hydroxymethyl)pentan-3-ylamino]-6-oxohexanoic acid
CID 62523466
N-[3-(hydroxymethyl)pentan-3-yl]octanamide
CID 55082633
4-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide
CID 107865748
N-[3-(hydroxymethyl)pentan-3-yl]dodecanamide
CID 65427888

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3-methylbutanamide?
The IUPAC name of 3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3-methylbutanamide (CID 64676838) is 3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3-methylbutanamide?
The canonical SMILES for 3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3-methylbutanamide is CCC(CC)(CO)NC(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3-methylbutanamide?
The InChIKey is VBEWWCKBMHRVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-5-11(6-2,8-14)13-9(15)7-10(3,4)12/h14H,5-8,12H2,1-4H3,(H,13,15).
What are the key properties of 3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3-methylbutanamide?
3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3-methylbutanamide has a molecular weight of 216.32 g/mol, XLogP of 0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3-methylbutanamide is sourced from PubChem (CID 64676838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).